233382
甲苯-d8
"100%", 99.96 atom % D
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关于此项目
线性分子式:
C6D5CD3
化学文摘社编号:
分子量:
100.19
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
EC Number:
218-009-5
Beilstein/REAXYS Number:
1909300
MDL number:
产品名称
甲苯-d8, "100%", 99.96 atom % D
InChI key
YXFVVABEGXRONW-JGUCLWPXSA-N
InChI
1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D
SMILES string
[2H]c1c([2H])c([2H])c(c([2H])c1[2H])C([2H])([2H])[2H]
isotopic purity
99.96 atom % D
assay
≥99% (CP)
form
liquid
expl. lim.
0.34-6.3 % (lit.)
technique(s)
NMR: suitable
impurities
≤0.0100% water
water
refractive index
n20/D 1.494 (lit.)
bp
110 °C (lit.)
mp
-84 °C (lit.)
density
0.943 g/mL at 25 °C (lit.)
mass shift
M+8
Quality Level
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General description
Toluene-d8 is a deuterated NMR solvent that is useful in NMR-based research and analyses.
Other Notes
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signalword
Danger
Hazard Classifications
Aquatic Chronic 3 - Asp. Tox. 1 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 Inhalation - STOT SE 3
target_organs
Central nervous system
存储类别
3 - Flammable liquids
wgk
WGK 3
flash_point_f
39.2 °F - closed cup
flash_point_c
4 °C - closed cup
法规信息
危险化学品
此项目有
Synthesis and Visible-Light Photochromism of a Donor-Acceptor Type of Dimethyl 2, 3-bis (arylethynyl) fumarate.
Sakamoto R.
International Journal of Chemical Engineering and Applications, 7(1), 52-52 (2016)
Formation of deuterium atoms in the pyrolysis of toluene-d8 behind shock waves. Kinetics of the reaction C7D8+ H ? C7D7H + D
Rao VS and Skinner GB.
The Journal of Physical Chemistry, 88(94), 4362-4365 (1984)
Fourier transform NMR in liquids at high pressure. III. Spin-lattice relaxation in toluene-d8.
Wilbur DJ and Jonas J.
J. Chem. Phys. , 62(7), 2800-2807 (1975)
Freddy H Havaldar et al.
Journal of labelled compounds & radiopharmaceuticals, 58(4), 163-165 (2015-02-19)
A d4 -labeled isotopomer of deferasirox was synthesized as internal standard for use in a LC/mass spectroscopy (MS)/MS method developed for the simultaneous quantitative determination of deferasirox in human serum. d4 -deferasirox was synthesized from d8 -toluene.
Xiaoyong Lu et al.
Molecules (Basel, Switzerland), 19(9), 14292-14303 (2014-09-13)
Gated molecular encapsulations, with baskets of type 1, are postulated to occur by the mechanism in which solvent molecule penetrates the inner space of 1, through one of its apertures, while the residing guest simultaneously departs the cavity. In the
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